N-(diphenylmethyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(diphenylmethyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-benzhydryl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(diphenylmethyl)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-benzhydryl-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-benzhydryl-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetamide Formula: C25H29N4O3S2+ MolecularWeight: 497.65276

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S2/c1-28-14-16-29(17-15-28)34(31,32)22-12-13-24(26-18-22)33-19-23(30)27-25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,25H,14-17,19H2,1H3,(H,27,30)/p+1